2-nitro-5-[[(4Z,8Z,12Z,16Z)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenyl]disulfanyl]benzoic acid

Systemtic Name: 2-nitro-5-[[(4Z,8Z,12Z,16Z)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenyl]disulfanyl]benzoic acid Openeye Name: 2-nitro-5-[[(4Z,8Z,12Z,16Z)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenyl]disulfanyl]benzoic acid CAS Name: 2-nitro-5-[[(4Z,8Z,12Z,16Z)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenyl]disulfanyl]benzoic acid IUPAC Name: 2-nitro-5-[[(4Z,8Z,12Z,16Z)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenyl]disulfanyl]benzoic acid Traditional Name: 2-nitro-5-[[(4Z,8Z,12Z,16Z)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenyl]disulfanyl]benzoic acid Formula: C34H49NO4S2 MolecularWeight: 599.88716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCCSSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O)C)C)C)C)C

Isomeric SMILES

CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CCCSSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O)/C)/C)/C)/C)C

InChI

InChI=1S/C34H49NO4S2/c1-26(2)13-9-15-28(4)17-11-19-30(6)21-12-20-29(5)18-10-16-27(3)14-7-8-24-40-41-31-22-23-33(35(38)39)32(25-31)34(36)37/h13-14,17-18,21-23,25H,7-12,15-16,19-20,24H2,1-6H3,(H,36,37)/b27-14-,28-17-,29-18-,30-21-